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CHEMDIV-ZINC00189901

 MMsINC code: MMs00837220
Type: Neutral
Formula: C15H26N2
SMILES:   N12C(C3C(CC4N(C3)CCCC4)C1)CCCC2
InChI:   InChI=1/C15H26N2/c1-3-7-16-11-14-12(9-13(16)5-1)10-17-8-4-2-6-15(14)17/h12-15H,1-11H2/t12-,13-,14-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=37.7276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.387 g/mol  logS: -1.54673  SlogP: 2.3451  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175407  Sterimol/B1: 2.98194  Sterimol/B2: 4.1146  Sterimol/B3: 4.39659
  Sterimol/B4: 4.66911  Sterimol/L: 12.5229 
 
 Surface and Volume Properties
  Accessible surface: 451.706  Positive charged surface: 404.519  Negative charged surface: 47.1874  Volume: 252.375
  Hydrophobic surface: 451.471  Hydrophilic surface: 0.23500000000001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00837221
CHEMDIV-ZINC00189901